(2R,4R)-2-[3-bromanyl-4-(dimethylamino)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[3-bromanyl-4-(dimethylamino)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[3-bromo-4-(dimethylamino)phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[3-bromo-4-(dimethylamino)phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[3-bromo-4-(dimethylamino)phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[3-bromo-4-(dimethylamino)phenyl]thiazolidin-3-ium-4-carboxylate Formula: C12H15BrN2O2S MolecularWeight: 331.2287

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])Br

InChI

InChI=1S/C12H15BrN2O2S/c1-15(2)10-4-3-7(5-8(10)13)11-14-9(6-18-11)12(16)17/h3-5,9,11,14H,6H2,1-2H3,(H,16,17)/t9-,11+/m0/s1